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BioLiP

PDB CCD ID: XKH
Number of entries in BioLiP: 1
Chemical formula: C6 H10 O4
InChI: InChI=1S/C6H10O4/c1-3(5(7)8)4(2)6(9)10/h3-4H,1-2H3,(H,7,8)(H,9,10)/t3-,4+
InChIKey: KLZYRCVPDWTZLH-ZXZARUISSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C[C@H]([C@H](C)C(O)=O)C(O)=O
CACTVS 3.385C[CH]([CH](C)C(O)=O)C(O)=O
OpenEye OEToolkits 2.0.7C[C@H]([C@H](C)C(=O)O)C(=O)O
OpenEye OEToolkits 2.0.7CC(C(C)C(=O)O)C(=O)O
ACDLabs 12.01OC(=O)C(C)C(C)C(=O)O
Name:(2R,3S)-2,3-dimethylbutanedioic acid
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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